CID 11206736

4-(4-methoxyphenyl)-2-thiophenecarbaldehyde

Structural Information

Molecular Formula

C₁₂H₁₀O₂S

SMILES

COC1=CC=C(C=C1)C2=CSC(=C2)C=O

InChI

InChI=1S/C12H10O2S/c1-14-11-4-2-9(3-5-11)10-6-12(7-13)15-8-10/h2-8H,1H3

InChIKey

QHFFOHGKCLHHFU-UHFFFAOYSA-N

Compound name

4-(4-methoxyphenyl)thiophene-2-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 218.04015 Da
Monoisotopic Mass: 3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	219.04743	146.6
[M+Na]+	241.02937	160.3
[M+NH4]+	236.07397	156.2
[M+K]+	257.00331	152.5
[M-H]-	217.03287	150.9
[M+Na-2H]-	239.01482	154.5
[M]+	218.03960	150.3
[M]-	218.04070	150.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe